N-tert-butyl-2-(5,6-dimethylbenzimidazol-1-yl)-3-methylbutan-1-amine

C18H29N3 — CID 62447771

IUPACN-tert-butyl-2-(5,6-dimethylbenzimidazol-1-yl)-3-methylbutan-1-amine
SMILESCc1cc2ncn(C(CNC(C)(C)C)C(C)C)c2cc1C
InChIInChI=1S/C18H29N3/c1-12(2)17(10-20-18(5,6)7)21-11-19-15-8-13(3)14(4)9-16(15)21/h8-9,11-12,17,20H,10H2,1-7H3
InChIKeyMVKMUXNMMCEZDB-UHFFFAOYSA-N
MW287.45 g/mol
LogP4.24
Rot. Bonds4

About N-tert-butyl-2-(5,6-dimethylbenzimidazol-1-yl)-3-methylbutan-1-amine

N-tert-butyl-2-(5,6-dimethylbenzimidazol-1-yl)-3-methylbutan-1-amine (PubChem CID 62447771) has the molecular formula C18H29N3 and a molecular weight of 287.45 g/mol. Its IUPAC name is N-tert-butyl-2-(5,6-dimethylbenzimidazol-1-yl)-3-methylbutan-1-amine.

Molecular Properties

Compound NameN-tert-butyl-2-(5,6-dimethylbenzimidazol-1-yl)-3-methylbutan-1-amine
PubChem CID62447771
Molecular FormulaC18H29N3
Molecular Weight287.45 g/mol
Exact Mass287.24
IUPAC NameN-tert-butyl-2-(5,6-dimethylbenzimidazol-1-yl)-3-methylbutan-1-amine
SMILESCc1cc2ncn(C(CNC(C)(C)C)C(C)C)c2cc1C
InChIInChI=1S/C18H29N3/c1-12(2)17(10-20-18(5,6)7)21-11-19-15-8-13(3)14(4)9-16(15)21/h8-9,11-12,17,20H,10H2,1-7H3
InChIKeyMVKMUXNMMCEZDB-UHFFFAOYSA-N
XLogP4.24
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.45
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-(5,6-dimethylbenzimidazol-1-yl)-3-methylbutan-1-amine?
The IUPAC name of N-tert-butyl-2-(5,6-dimethylbenzimidazol-1-yl)-3-methylbutan-1-amine (CID 62447771) is N-tert-butyl-2-(5,6-dimethylbenzimidazol-1-yl)-3-methylbutan-1-amine.
What is the SMILES notation for N-tert-butyl-2-(5,6-dimethylbenzimidazol-1-yl)-3-methylbutan-1-amine?
The canonical SMILES for N-tert-butyl-2-(5,6-dimethylbenzimidazol-1-yl)-3-methylbutan-1-amine is Cc1cc2ncn(C(CNC(C)(C)C)C(C)C)c2cc1C.
What is the InChIKey of N-tert-butyl-2-(5,6-dimethylbenzimidazol-1-yl)-3-methylbutan-1-amine?
The InChIKey is MVKMUXNMMCEZDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3/c1-12(2)17(10-20-18(5,6)7)21-11-19-15-8-13(3)14(4)9-16(15)21/h8-9,11-12,17,20H,10H2,1-7H3.
What are the key properties of N-tert-butyl-2-(5,6-dimethylbenzimidazol-1-yl)-3-methylbutan-1-amine?
N-tert-butyl-2-(5,6-dimethylbenzimidazol-1-yl)-3-methylbutan-1-amine has a molecular weight of 287.45 g/mol, XLogP of 4.24, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-(5,6-dimethylbenzimidazol-1-yl)-3-methylbutan-1-amine is sourced from PubChem (CID 62447771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).